Molecule ID: mol22294
SMILES: O=C(O)COC1CCCC1
InChI: InChI=1S/C7H12O3/c8-7(9)5-10-6-3-1-2-4-6/h6H,1-5H2,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.70 | OCHEM | 0 » -1 |
| 3.70 | AttenGpKa training set | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |
| 3.70 | QSARToolbox | 0 » -1 |